SCHEMBL12230919

SCHEMBL12230919

COc1ccc2c(c1)SCc1c(C(=O)O)nn(C)c1-2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.51
▸ TP53 P04637 5/20 0.51
▸ THRB P10828 1/20 0.47
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ PIK3CD O00329 1/20 0.44
▸ PIK3R2 O00459 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ PIK3R5 Q8WYR1 1/20 0.44
▸ PIK3R3 Q92569 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7084 0.86 MAPT (0.49) MAPTTP53THRB
SCHEMBL20647019 0.79 MEN1 (0.56) MAPTTP53RAB9AKMT2APIK3CD
SCHEMBL7312 0.76 PIK3CD (0.71) MAPTTP53THRBKMT2APIK3CD
SCHEMBL29515467 0.75 PIK3CD (0.54) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12230888 0.74 TP53 (0.47) MAPTTP53THRBRAB9AL3MBTL1
SCHEMBL19810671 0.74 NR1H4 (0.48) MAPTTP53RAB9APIK3CDPIK3R2
SCHEMBL12230898 0.74 CCNA2 (0.56) MAPTTP53THRBPIK3CDPIK3R2
SCHEMBL13063 0.73 CCNA2 (0.53) TP53KMT2APIK3CDPIK3R2PIK3CA
SCHEMBL7842 0.73 MAPT (0.50) MAPTTP53THRBRAB9AL3MBTL1
SCHEMBL1990059 0.69 KDM4E (0.44) MAPTRAB9AL3MBTL1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 — — EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 — — US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
EP-2499146-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES Merck Serono S.A. (CH) 2012-09-19 — — EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA MAPT 965/4885TP53 731/4885THRB 1646/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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